methyl 3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate
methyl 3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D715-0170 |
| Compound Name: | methyl 3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C20 H21 N3 O4 |
| Smiles: | COC(c1cccc(c1)NC(N1C[C@H]2C[C@@H](C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0366 |
| logD: | 3.0366 |
| logSw: | -3.4369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.58 |
| InChI Key: | UHBPGAZIRSJCPQ-ZFWWWQNUSA-N |